Geometry & MOs

Info

ID:	444417
PubChem CID:	135262346
Reduced:	FO2N8C24H27 (1)
Stoich.:	AB2C8D24E27 (1)
Weight, g/mol:	545.172188
ΔH_f, kcal/mol:	15.8
Dipole, Da:	4.12
IP(EA), eV:	-8.57(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[4-[2-oxo-2-[4-(2,2,2-trifluoro-1-morpholin-4-yl-1-phenylethyl)anilino]ethyl]phenyl]ethanesulfinate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=C3C(=NC(=NN3C=C2)C4=NC(=CC=C4)OC)NC5=C(C=NC=C5)F)O

DOS

IR

Vibrations